5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid

C7H3ClF2INO2 — CID 130073352

IUPAC5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(Cl)cc1I
InChIInChI=1S/C7H3ClF2INO2/c8-2-1-3(11)5(7(13)14)12-4(2)6(9)10/h1,6H,(H,13,14)
InChIKeyCDMXYVMJWYNRTE-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.98
Rot. Bonds2

About 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid

5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid (PubChem CID 130073352) has the molecular formula C7H3ClF2INO2 and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
PubChem CID130073352
Molecular FormulaC7H3ClF2INO2
Molecular Weight333.46 g/mol
Exact Mass332.89
IUPAC Name5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(Cl)cc1I
InChIInChI=1S/C7H3ClF2INO2/c8-2-1-3(11)5(7(13)14)12-4(2)6(9)10/h1,6H,(H,13,14)
InChIKeyCDMXYVMJWYNRTE-UHFFFAOYSA-N
XLogP2.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylic acid
CID 118809209
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid (CID 130073352) is 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid is O=C(O)c1nc(C(F)F)c(Cl)cc1I.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The InChIKey is CDMXYVMJWYNRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO2/c8-2-1-3(11)5(7(13)14)12-4(2)6(9)10/h1,6H,(H,13,14).
What are the key properties of 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid has a molecular weight of 333.46 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 130073352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).